#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkh s VAL 9 N 0.00 5.05 0.05 1.61 1.01 -1.26 -4.99 120.40 121.88 1qkh s VAL 9 Ca 0.00 1.23 0.03 0.00 0.00 0.00 0.00 61.98 63.25 1qkh s VAL 9 Cb 0.00 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1qkh s VAL 9 CO 0.00 0.18 -0.10 0.12 0.00 0.00 0.00 175.10 175.30 1qkh s PHE 10 N 1.39 0.85 -0.20 5.22 2.19 -1.26 -5.11 117.98 121.06 1qkh s PHE 10 Ca 0.31 -0.48 -0.04 0.00 0.33 0.00 0.00 56.93 57.05 1qkh s PHE 10 Cb -0.16 -0.49 -0.02 0.00 -1.31 0.00 0.00 43.02 41.03 1qkh s PHE 10 CO 0.12 -0.04 -0.03 0.08 1.83 0.00 0.00 175.22 177.19 1qkh s VAL 11 N -1.32 3.67 -0.55 3.12 1.01 -1.26 -2.19 120.40 122.88 1qkh s VAL 11 Ca -0.07 -0.41 -0.37 0.00 0.00 0.00 0.00 61.98 61.13 1qkh s VAL 11 Cb -0.10 -2.65 -0.16 0.00 0.00 0.00 0.00 36.38 33.47 1qkh s VAL 11 CO 0.01 0.44 2.30 -0.90 0.00 0.00 0.00 175.10 176.95 1qkh n ASP 12 N 4.28 1.22 0.20 3.32 5.68 -1.24 -4.76 116.55 125.25 1qkh n ASP 12 Ca -0.18 0.40 0.06 0.00 -0.50 0.00 0.00 54.79 54.57 1qkh n ASP 12 Cb 0.52 -1.07 0.40 0.00 -1.14 0.00 0.00 41.12 39.82 1qkh n ASP 12 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1qkh h ASP 13 N 11.54 0.00 0.69 -1.12 3.58 -1.95 -2.04 116.42 127.12 1qkh h ASP 13 Ca -0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1qkh h ASP 13 Cb 1.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.40 1qkh h ASP 13 CO 1.14 0.34 0.00 -0.74 -2.88 0.00 0.00 179.24 177.10 1qkh h HIS 14 N 0.00 0.00 0.18 0.28 2.76 -1.90 -1.88 115.15 114.59 1qkh h HIS 14 Ca -0.00 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 57.83 1qkh h HIS 14 Cb 0.75 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.72 1qkh h HIS 14 CO 0.00 0.00 -1.67 1.25 -1.30 0.00 0.00 177.93 176.21 1qkh h LEU 15 N 0.00 0.61 -0.27 0.26 5.85 -1.59 -3.34 115.31 116.83 1qkh h LEU 15 Ca 0.00 -0.85 -0.09 0.00 0.84 0.00 0.00 57.88 57.78 1qkh h LEU 15 Cb 0.35 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1qkh h LEU 15 CO 0.00 1.71 -0.19 -0.07 -0.34 0.00 0.00 178.44 179.55 1qkh h LEU 16 N 0.11 0.64 -1.96 2.25 3.38 -1.44 0.36 115.31 118.64 1qkh h LEU 16 Ca -0.31 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1qkh h LEU 16 Cb 2.10 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1qkh h LEU 16 CO 0.19 0.94 0.29 1.05 0.09 0.00 0.00 178.44 181.01 1qkh h GLU 17 N 0.34 0.00 0.00 1.13 4.11 -1.50 -1.30 114.58 117.36 1qkh h GLU 17 Ca 0.05 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.34 1qkh h GLU 17 Cb 0.73 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1qkh h GLU 17 CO 0.05 0.00 -1.53 1.63 0.07 0.00 0.00 179.01 179.23 1qkh n LYS 18 N -2.81 1.85 -0.01 1.06 5.02 -1.05 -4.46 118.16 117.76 1qkh n LYS 18 Ca -0.02 0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 1qkh n LYS 18 Cb 0.34 -1.20 -0.07 0.00 -0.02 0.00 0.00 35.03 34.09 1qkh n LYS 18 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1qkh h VAL 19 N 0.00 1.28 -0.79 -0.18 3.04 0.16 -2.15 116.25 117.61 1qkh h VAL 19 Ca -0.21 -2.01 0.01 0.00 -1.01 0.00 0.00 66.70 63.47 1qkh h VAL 19 Cb 1.42 2.03 -0.04 0.00 -2.01 0.00 0.00 31.29 32.69 1qkh h VAL 19 CO -0.00 0.64 0.52 -0.07 -1.01 0.00 0.00 177.57 177.64 1qkh h LEU 20 N 0.52 0.91 -0.92 3.16 3.38 -1.47 0.73 115.31 121.62 1qkh h LEU 20 Ca -0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1qkh h LEU 20 Cb 1.44 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1qkh h LEU 20 CO 0.16 0.67 0.54 -0.08 0.09 0.00 0.00 178.44 179.82 1qkh h GLU 21 N 1.07 1.26 0.00 1.13 4.81 -1.70 -1.31 114.58 119.84 1qkh h GLU 21 Ca 0.29 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1qkh h GLU 21 Cb -0.11 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.00 1qkh h GLU 21 CO -0.06 0.89 -0.39 -0.07 -0.73 0.00 0.00 179.01 178.64 1qkh h LEU 22 N 1.27 0.00 0.00 1.64 3.38 -0.27 -2.38 115.31 118.95 1qkh h LEU 22 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1qkh h LEU 22 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1qkh h LEU 22 CO -0.06 0.39 -0.04 0.59 0.09 0.00 0.00 178.44 179.42 1qkh n ASN 23 N -3.58 0.15 -0.00 -0.43 3.02 -0.07 -0.10 115.26 114.25 1qkh n ASN 23 Ca -0.00 0.46 -0.16 0.00 -0.03 0.00 0.00 54.58 54.85 1qkh n ASN 23 Cb 0.51 -0.49 -0.14 0.00 -0.61 0.00 0.00 39.78 39.05 1qkh n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qkh h ALA 24 N 2.92 0.57 0.00 5.41 0.00 -0.75 -3.39 119.26 124.03 1qkh h ALA 24 Ca 0.00 -1.41 -0.19 0.00 0.00 0.00 0.00 54.91 53.30 1qkh h ALA 24 Cb 0.54 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1qkh h ALA 24 CO 0.00 1.42 -2.08 0.36 0.00 0.00 0.00 179.25 178.95 1qkh n LYS 25 N -3.30 0.88 -0.82 0.00 2.85 -1.10 -5.00 118.16 111.67 1qkh n LYS 25 Ca -0.25 -0.08 0.00 0.00 -1.05 0.00 0.00 58.31 56.93 1qkh n LYS 25 Cb 1.05 -1.46 0.00 0.00 -0.65 0.00 0.00 35.03 33.97 1qkh n LYS 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1qkh n GLY 26 N 1.70 1.28 3.82 2.58 0.00 0.85 -5.07 105.19 110.35 1qkh n GLY 26 Ca -0.19 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 1qkh n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qkh s GLU 27 N -2.19 4.26 -0.74 1.61 0.41 -0.97 -5.02 118.70 116.06 1qkh s GLU 27 Ca 0.00 1.13 -0.02 0.00 -0.41 0.00 0.00 54.97 55.67 1qkh s GLU 27 Cb 0.00 -2.25 0.19 0.00 -1.78 0.00 0.00 34.13 30.28 1qkh s GLU 27 CO 0.00 0.01 0.58 0.15 -0.49 0.00 0.00 175.26 175.51 1qkh s LYS 28 N -3.05 2.87 0.00 1.61 1.02 -1.26 -4.82 119.74 116.10 1qkh s LYS 28 Ca 0.60 -2.87 0.00 0.00 0.02 0.00 0.00 55.97 53.73 1qkh s LYS 28 Cb -0.10 -3.82 0.00 0.00 -0.52 0.00 0.00 37.83 33.39 1qkh s LYS 28 CO 0.14 -1.22 0.00 -2.13 -0.92 0.00 0.00 175.35 171.22 1qkh n ARG 29 N 2.97 0.73 -4.43 1.68 0.63 -1.26 -5.08 116.66 111.89 1qkh n ARG 29 Ca 0.14 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.81 1qkh n ARG 29 Cb 0.38 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.18 1qkh n ARG 29 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1qkh s LEU 30 N 0.00 2.54 -0.12 6.15 2.34 -1.26 -3.22 118.68 125.11 1qkh s LEU 30 Ca 0.00 -0.91 0.01 0.00 0.06 0.00 0.00 54.13 53.29 1qkh s LEU 30 Cb 0.00 -1.18 0.02 0.00 -0.56 0.00 0.00 46.19 44.47 1qkh s LEU 30 CO 0.00 0.08 -0.15 -0.63 -1.06 0.00 0.00 176.35 174.59 1qkh s ILE 31 N -2.03 1.54 0.11 1.48 1.09 -0.97 -4.94 121.20 117.50 1qkh s ILE 31 Ca 0.25 -0.65 -0.01 0.00 -1.10 0.00 0.00 60.65 59.14 1qkh s ILE 31 Cb -0.07 -1.42 -0.04 0.00 -1.06 0.00 0.00 42.46 39.86 1qkh s ILE 31 CO 0.12 0.45 0.29 -0.54 -0.10 0.00 0.00 174.94 175.17 1qkh s LYS 32 N 1.17 3.50 0.13 2.79 3.01 -1.26 0.89 119.74 129.97 1qkh s LYS 32 Ca -0.02 -0.34 0.01 0.00 -1.01 0.00 0.00 55.97 54.61 1qkh s LYS 32 Cb -0.14 -2.95 -0.04 0.00 -1.01 0.00 0.00 37.83 33.69 1qkh s LYS 32 CO -0.05 0.53 -0.02 0.99 0.51 0.00 0.00 175.35 177.31 1qkh s THR 33 N -1.63 0.59 -0.22 2.17 2.01 -1.02 -4.48 115.64 113.06 1qkh s THR 33 Ca 0.37 -1.94 0.23 0.00 0.31 0.00 0.00 61.69 60.65 1qkh s THR 33 Cb -0.12 -1.90 0.49 0.00 0.01 0.00 0.00 72.50 70.97 1qkh s THR 33 CO 0.27 -0.67 1.14 0.79 -0.69 0.00 0.00 174.62 175.47 1qkh n TRP 34 N -0.12 0.85 0.00 4.92 8.01 -1.26 -3.86 117.44 125.97 1qkh n TRP 34 Ca -0.09 -1.85 0.00 0.00 -1.31 0.00 0.00 57.50 54.25 1qkh n TRP 34 Cb 0.62 -0.10 0.00 0.00 -2.01 0.00 0.00 31.31 29.82 1qkh n TRP 34 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1qkh n SER 35 N -0.48 0.00 0.03 -0.99 7.64 -1.26 -5.05 113.62 113.50 1qkh n SER 35 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1qkh n SER 35 Cb 0.86 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 1qkh n SER 35 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1qkh n ARG 36 N 0.00 0.00 -2.15 1.43 5.12 -1.26 -4.87 116.66 114.93 1qkh n ARG 36 Ca 0.00 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.56 1qkh n ARG 36 Cb 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.33 1qkh n ARG 36 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1qkh n ARG 37 N -2.63 3.11 -1.42 5.56 0.00 -1.26 -2.61 116.66 117.41 1qkh n ARG 37 Ca 0.00 -3.91 -0.54 0.00 -0.00 0.00 0.00 57.85 53.40 1qkh n ARG 37 Cb 0.00 -2.27 -0.08 0.00 -0.00 0.00 0.00 32.46 30.10 1qkh n ARG 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1qkh n SER 38 N -0.49 1.80 -4.81 2.89 7.64 -1.18 -4.32 113.62 115.15 1qkh n SER 38 Ca 0.49 0.55 -0.25 0.00 1.01 0.00 0.00 58.87 60.66 1qkh n SER 38 Cb 0.36 -1.16 -0.05 0.00 -1.01 0.00 0.00 64.21 62.36 1qkh n SER 38 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1qkh s THR 39 N 6.60 4.52 0.81 0.44 2.01 -0.93 -4.70 115.64 124.39 1qkh s THR 39 Ca 1.11 -1.12 -0.12 0.00 0.31 0.00 0.00 61.69 61.87 1qkh s THR 39 Cb -1.04 -3.33 0.08 0.00 0.01 0.00 0.00 72.50 68.21 1qkh s THR 39 CO 0.55 -0.15 1.14 -0.63 -0.69 0.00 0.00 174.62 174.84 1qkh s ILE 40 N -1.82 2.51 0.32 1.82 1.09 -1.26 -3.64 121.20 120.22 1qkh s ILE 40 Ca 0.31 0.17 0.05 0.00 -1.10 0.00 0.00 60.65 60.08 1qkh s ILE 40 Cb -0.10 -3.06 -0.03 0.00 -1.06 0.00 0.00 42.46 38.21 1qkh s ILE 40 CO 0.24 -0.22 0.21 0.68 -0.10 0.00 0.00 174.94 175.75 1qkh s VAL 41 N -3.38 0.17 0.25 2.92 -7.23 -1.26 -4.17 120.40 107.70 1qkh s VAL 41 Ca 0.61 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.79 1qkh s VAL 41 Cb -0.13 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.37 1qkh s VAL 41 CO 0.52 0.00 1.66 1.55 -0.31 0.00 0.00 175.10 178.51 1qkh h PRO 42 N 2.17 0.52 0.00 4.82 0.13 -1.97 -2.51 132.00 135.15 1qkh h PRO 42 Ca -0.30 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1qkh h PRO 42 Cb 1.24 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1qkh h PRO 42 CO 0.45 0.78 0.00 0.39 -0.23 0.00 0.00 178.00 179.40 1qkh n GLU 43 N -4.07 0.00 -0.01 0.86 4.71 -1.26 -1.95 120.64 118.92 1qkh n GLU 43 Ca -0.01 0.35 0.13 0.00 -0.01 0.00 0.00 57.16 57.62 1qkh n GLU 43 Cb 0.46 -1.50 0.56 0.00 -1.01 0.00 0.00 31.44 29.95 1qkh n GLU 43 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1qkh n MET 44 N -1.50 1.56 0.00 3.49 2.81 -0.94 -4.35 117.12 118.19 1qkh n MET 44 Ca 0.02 -0.81 0.00 0.00 -1.81 0.00 0.00 57.70 55.10 1qkh n MET 44 Cb 0.10 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 1qkh n MET 44 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 1qkh n VAL 45 N -0.00 0.44 -2.52 2.03 3.14 -0.82 -1.84 118.33 118.76 1qkh n VAL 45 Ca 0.19 0.15 -0.01 0.00 -2.96 0.00 0.00 64.34 61.71 1qkh n VAL 45 Cb 0.30 -1.15 0.03 0.00 -1.06 0.00 0.00 33.84 31.97 1qkh n VAL 45 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1qkh n GLY 46 N -1.02 1.31 3.06 7.55 0.00 -1.02 -4.09 105.19 110.98 1qkh n GLY 46 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 1qkh n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qkh s HIS 47 N -1.02 0.17 -1.08 1.61 4.02 -0.77 -4.83 115.29 113.39 1qkh s HIS 47 Ca 0.20 -0.37 -0.10 0.00 1.02 0.00 0.00 55.06 55.81 1qkh s HIS 47 Cb 0.30 -0.13 0.27 0.00 -1.02 0.00 0.00 32.58 32.00 1qkh s HIS 47 CO -0.09 -0.26 1.08 0.99 1.02 0.00 0.00 174.74 177.48 1qkh s THR 48 N -1.66 5.94 -0.21 1.30 2.01 -1.20 -1.12 115.64 120.71 1qkh s THR 48 Ca -0.13 -3.29 -0.24 0.00 0.31 0.00 0.00 61.69 58.33 1qkh s THR 48 Cb -0.07 -4.60 -0.01 0.00 0.01 0.00 0.00 72.50 67.83 1qkh s THR 48 CO -0.01 -1.18 0.79 -0.63 -0.69 0.00 0.00 174.62 172.91 1qkh s ILE 49 N -1.03 4.89 -1.22 1.82 1.01 -0.88 -2.28 121.20 123.50 1qkh s ILE 49 Ca 0.29 1.52 -0.20 0.00 0.00 0.00 0.00 60.65 62.27 1qkh s ILE 49 Cb -0.10 -4.09 0.05 0.00 0.01 0.00 0.00 42.46 38.33 1qkh s ILE 49 CO -0.08 -0.00 1.70 0.00 0.00 0.00 0.00 174.94 176.55 1qkh s ALA 50 N 2.43 3.01 0.13 9.38 0.00 0.26 -1.24 121.76 135.73 1qkh s ALA 50 Ca 0.35 -2.67 -0.31 0.00 0.00 0.00 0.00 51.96 49.32 1qkh s ALA 50 Cb -0.16 -4.62 -0.10 0.00 0.00 0.00 0.00 23.12 18.24 1qkh s ALA 50 CO 0.10 -3.58 1.67 0.14 0.00 0.00 0.00 175.76 174.09 1qkh s VAL 51 N 5.14 2.63 -0.52 0.00 -7.23 -0.87 -2.43 120.40 117.13 1qkh s VAL 51 Ca 0.54 0.31 -0.27 0.00 -1.81 0.00 0.00 61.98 60.74 1qkh s VAL 51 Cb 0.02 -3.20 -0.01 0.00 0.56 0.00 0.00 36.38 33.76 1qkh s VAL 51 CO 0.04 0.01 1.68 -0.47 -0.31 0.00 0.00 175.10 176.06 1qkh s TYR 52 N 1.93 1.92 -1.86 2.82 5.04 -1.25 -2.09 117.35 123.87 1qkh s TYR 52 Ca 0.74 0.64 0.17 0.00 -2.44 0.00 0.00 57.07 56.18 1qkh s TYR 52 Cb -0.44 -4.21 0.97 0.00 0.35 0.00 0.00 41.96 38.63 1qkh s TYR 52 CO 0.33 -2.34 1.43 -1.71 -1.34 0.00 0.00 175.55 171.92 1qkh n ASN 53 N 10.99 0.00 0.00 4.32 5.15 0.31 -3.09 115.26 132.94 1qkh n ASN 53 Ca 0.18 -0.39 0.00 0.00 -0.60 0.00 0.00 54.58 53.78 1qkh n ASN 53 Cb 0.50 -0.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 1qkh n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qkh n GLY 54 N 0.07 2.01 0.00 8.20 0.00 -1.07 -4.79 105.19 109.61 1qkh n GLY 54 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1qkh n GLY 54 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qkh n LYS 55 N 0.00 0.15 -4.17 1.61 2.85 -1.26 -5.02 118.16 112.32 1qkh n LYS 55 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 1qkh n LYS 55 Cb 0.00 -0.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.78 1qkh n LYS 55 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1qkh s GLN 56 N -0.97 0.84 -0.47 -1.58 1.03 -1.26 -5.11 119.66 112.13 1qkh s GLN 56 Ca 0.00 -1.16 -0.13 0.00 0.04 0.00 0.00 55.36 54.10 1qkh s GLN 56 Cb 0.00 -0.49 0.09 0.00 0.03 0.00 0.00 33.01 32.64 1qkh s GLN 56 CO 0.00 0.07 0.37 -1.01 -2.54 0.00 0.00 175.29 172.18 1qkh s HIS 57 N -2.53 3.29 -0.56 9.60 3.76 -1.26 -0.53 115.29 127.05 1qkh s HIS 57 Ca 0.06 -1.23 -0.20 0.00 -0.15 0.00 0.00 55.06 53.54 1qkh s HIS 57 Cb -0.02 -3.22 0.08 0.00 1.11 0.00 0.00 32.58 30.53 1qkh s HIS 57 CO -0.00 -0.86 0.70 0.08 -0.85 0.00 0.00 174.74 173.81 1qkh s VAL 58 N 1.55 4.78 -0.89 -0.90 1.01 -0.89 -4.69 120.40 120.37 1qkh s VAL 58 Ca 0.04 -0.65 -0.25 0.00 0.00 0.00 0.00 61.98 61.11 1qkh s VAL 58 Cb -0.25 -4.42 -0.08 0.00 0.00 0.00 0.00 36.38 31.63 1qkh s VAL 58 CO 0.04 -1.01 2.09 -2.16 0.00 0.00 0.00 175.10 174.07 1qkh s PRO 59 N 2.84 2.22 -0.29 2.72 0.04 -1.25 -2.04 135.00 139.23 1qkh s PRO 59 Ca 0.15 -0.10 -0.14 0.00 0.04 0.00 0.00 61.00 60.96 1qkh s PRO 59 Cb -0.21 -4.98 -0.03 0.00 0.04 0.00 0.00 34.50 29.31 1qkh s PRO 59 CO 0.10 -3.79 0.31 0.08 0.04 0.00 0.00 177.00 173.73 1qkh s VAL 60 N 11.76 5.22 -0.55 -0.36 1.01 -0.38 -4.65 120.40 132.46 1qkh s VAL 60 Ca 0.77 0.29 -0.27 0.00 0.00 0.00 0.00 61.98 62.76 1qkh s VAL 60 Cb -0.08 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 1qkh s VAL 60 CO 0.03 0.12 1.61 -0.47 0.00 0.00 0.00 175.10 176.39 1qkh s TYR 61 N 1.95 2.01 0.25 5.22 6.14 -1.25 -2.08 117.35 129.59 1qkh s TYR 61 Ca 0.11 0.57 -0.21 0.00 0.64 0.00 0.00 57.07 58.18 1qkh s TYR 61 Cb -0.16 -4.27 -0.09 0.00 0.42 0.00 0.00 41.96 37.86 1qkh s TYR 61 CO 0.11 -2.23 0.77 0.42 0.64 0.00 0.00 175.55 175.26 1qkh s ILE 62 N 7.13 4.50 0.00 3.14 1.09 -0.27 -4.92 121.20 131.87 1qkh s ILE 62 Ca 0.60 1.38 0.00 0.00 -1.10 0.00 0.00 60.65 61.53 1qkh s ILE 62 Cb -0.13 -3.87 0.00 0.00 -1.06 0.00 0.00 42.46 37.40 1qkh s ILE 62 CO 0.24 0.17 0.00 0.35 -0.10 0.00 0.00 174.94 175.60 1qkh n THR 63 N 0.62 0.00 0.35 2.92 -2.24 -1.26 -2.42 114.28 112.25 1qkh n THR 63 Ca -0.01 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 1qkh n THR 63 Cb 0.51 -0.39 0.20 0.00 -2.10 0.00 0.00 70.33 68.55 1qkh n THR 63 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1qkh n GLU 64 N 0.00 2.52 0.00 -0.78 4.07 -1.26 -4.03 120.64 121.16 1qkh n GLU 64 Ca 0.00 -1.56 0.00 0.00 -0.06 0.00 0.00 57.16 55.54 1qkh n GLU 64 Cb 0.00 -1.62 0.00 0.00 -0.06 0.00 0.00 31.44 29.76 1qkh n GLU 64 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1qkh n ASN 65 N 0.49 0.18 0.06 4.31 5.15 -1.26 -4.84 115.26 119.35 1qkh n ASN 65 Ca 0.14 -0.03 0.02 0.00 -0.60 0.00 0.00 54.58 54.10 1qkh n ASN 65 Cb 0.55 0.10 -0.05 0.00 -0.53 0.00 0.00 39.78 39.85 1qkh n ASN 65 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 1qkh h MET 66 N 0.00 0.00 -7.29 1.20 2.86 -1.88 -3.47 114.93 106.35 1qkh h MET 66 Ca 0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 1qkh h MET 66 Cb 0.00 0.00 0.16 0.00 0.06 0.00 0.00 31.60 31.82 1qkh h MET 66 CO 0.00 0.30 0.23 0.54 1.06 0.00 0.00 176.91 179.03 1qkh s VAL 67 N -2.98 2.59 0.00 -2.22 0.11 -1.26 -4.39 120.40 112.24 1qkh s VAL 67 Ca -0.01 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 1qkh s VAL 67 Cb 0.09 -2.52 0.00 0.00 -1.53 0.00 0.00 36.38 32.42 1qkh s VAL 67 CO 0.80 -0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.93 1qkh n GLY 68 N -0.60 1.83 0.00 6.54 0.00 -1.26 -4.99 105.19 106.71 1qkh n GLY 68 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1qkh n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qkh n HIS 69 N -0.18 0.00 0.00 1.61 8.25 -1.26 -4.97 115.22 118.66 1qkh n HIS 69 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1qkh n HIS 69 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1qkh n HIS 69 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1qkh n LYS 70 N -0.89 0.00 0.00 -0.41 -0.00 -1.26 -4.31 118.16 111.29 1qkh n LYS 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1qkh n LYS 70 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1qkh n LYS 70 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1qkh n LEU 71 N 0.00 0.00 0.23 -5.58 -0.00 -1.26 -4.58 117.00 105.81 1qkh n LEU 71 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 56.01 56.17 1qkh n LEU 71 Cb 0.00 0.00 0.64 0.00 -0.00 0.00 0.00 43.42 44.06 1qkh n LEU 71 CO 0.00 0.00 0.95 1.23 -0.00 0.00 0.00 177.39 179.57 1qkh h GLY 72 N 0.00 0.00 1.54 1.47 0.00 -1.92 -1.30 103.07 102.86 1qkh h GLY 72 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qkh h GLY 72 CO 0.00 0.00 -0.47 0.83 0.00 0.00 0.00 176.54 176.90 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 5.08 -1.94 -1.83 114.58 120.69 1qkh h GLU 73 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1qkh h GLU 73 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1qkh h GLU 73 CO 0.00 0.01 -1.29 1.19 -1.00 0.00 0.00 179.01 177.91 1qkh n PHE 74 N -2.91 0.73 -2.84 4.33 3.01 -0.79 -4.37 117.46 114.62 1qkh n PHE 74 Ca 0.02 0.21 -0.17 0.00 1.01 0.00 0.00 57.45 58.53 1qkh n PHE 74 Cb 0.54 -0.86 -0.00 0.00 -0.01 0.00 0.00 39.48 39.15 1qkh n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qkh n ALA 75 N -2.22 3.34 -1.26 4.37 0.00 -0.56 -4.95 120.51 119.23 1qkh n ALA 75 Ca -0.02 -3.58 -0.21 0.00 0.00 0.00 0.00 53.44 49.63 1qkh n ALA 75 Cb 0.58 -0.85 -0.11 0.00 0.00 0.00 0.00 19.45 19.07 1qkh n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qkh n PRO 76 N -0.03 2.34 -2.31 0.00 -0.04 -0.69 -4.81 135.00 129.46 1qkh n PRO 76 Ca 0.21 -1.72 -0.42 0.00 -0.04 0.00 0.00 63.50 61.53 1qkh n PRO 76 Cb 0.69 -2.12 -0.03 0.00 -0.04 0.00 0.00 33.50 32.01 1qkh n PRO 76 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1qkh s THR 77 N -0.44 3.81 0.45 0.52 2.01 -1.26 -5.00 115.64 115.73 1qkh s THR 77 Ca 0.63 1.24 -0.22 0.00 0.31 0.00 0.00 61.69 63.66 1qkh s THR 77 Cb 0.34 -3.80 -0.09 0.00 0.01 0.00 0.00 72.50 68.96 1qkh s THR 77 CO -0.10 0.04 1.03 0.00 -0.69 0.00 0.00 174.62 174.90 1qkh s ARG 78 N 1.77 3.97 -0.23 4.92 1.70 -1.26 -5.05 118.95 124.77 1qkh s ARG 78 Ca 0.61 1.39 -0.04 0.00 -0.47 0.00 0.00 55.73 57.22 1qkh s ARG 78 Cb -0.31 -2.26 0.08 0.00 -0.57 0.00 0.00 34.95 31.89 1qkh s ARG 78 CO 0.27 -0.29 0.11 0.99 -1.08 0.00 0.00 175.30 175.30 1qkh s THR 79 N -1.88 -0.03 0.00 4.99 2.01 -1.26 -5.32 115.64 114.15 1qkh s THR 79 Ca 0.63 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.14 1qkh s THR 79 Cb -0.18 -0.81 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1qkh s THR 79 CO 0.22 -0.51 0.00 0.00 -0.69 0.00 0.00 174.62 173.64